Information card for entry 7232028

Structure parameters

• Formula: C12 H17 Fe2 O5 P S2
• Calculated formula: C12 H17 Fe2 O5 P S2
• Title of publication: The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction
• Authors of publication: Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 74
• Pages of publication: 42262
• a: 23.9678 ± 0.0004 Å
• b: 11.62457 ± 0.00018 Å
• c: 12.7424 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3550.23 ± 0.1 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No